methyl 2-[(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropanoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 2-[(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropanoate--hydrogen chloride (1/1)
methyl 2-[(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropanoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8015-5714 |
| Compound Name: | methyl 2-[(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropanoate--hydrogen chloride (1/1) |
| Molecular Weight: | 425.83 |
| Molecular Formula: | C18 H22 F3 N O5 |
| Salt: | HCl |
| Smiles: | CC1(C)Cc2cc(c(cc2C(CC(C(=O)OC)(C(F)(F)F)O)=N1)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6554 |
| logD: | 2.3792 |
| logSw: | -2.5756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.985 |
| InChI Key: | XJHMCGFNHASTHP-QGZVFWFLSA-N |